General Information of the Compound
| Compound ID |
CP0502818
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| Compound Name |
(R)-Cyclohexyl-{(3S,4S)-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
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| Structure |
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| Formula |
C32H41N3O2
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| Molecular Weight |
499.699
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2c[nH]c3ccccc23)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C32H41N3O2/c36-32(37)31(25-11-5-2-6-12-25)35-21-26(29(22-35)23-9-3-1-4-10-23)20-34-17-15-24(16-18-34)28-19-33-30-14-8-7-13-27(28)30/h1,3-4,7-10,13-14,19,24-26,29,31,33H,2,5-6,11-12,15-18,20-22H2,(H,36,37)/t26-,29+,31+/m0/s1
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| InChIKey |
PXULGTAZSZWVHW-QRLJAKNQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound